SCHEMBL9977848

SCHEMBL9977848

CCN(CCn1cc(-c2ccc(F)cn2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.61
HCRTR2 O43614 17/20 0.61
NAMPT P43490 1/20 0.39
CPB2 Q96IY4 1/20 0.37
SSTR4 P31391 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9977899 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9977741 0.78 HCRTR1 (0.56) HCRTR1HCRTR2NAMPT
SCHEMBL9977885 0.77 HCRTR1 (0.65) HCRTR1HCRTR2NAMPT
SCHEMBL9977849 0.76 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL9977841 0.76 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20352061 0.76 HCRTR1 (0.41) HCRTR1HCRTR2NAMPTCPB2SSTR4
SCHEMBL9977839 0.76 HCRTR1 (0.75) HCRTR1HCRTR2
SCHEMBL15338817 0.74 NAMPT (0.52) HCRTR1HCRTR2NAMPT
SCHEMBL15327049 0.74 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL15604578 0.73 HCRTR1 (0.57) HCRTR1HCRTR2NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R HCRTR1 1/4885HCRTR2 2/4885NAMPT 2645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.